rewire.it
Paper-reported evidence

Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction

2025 · Peer-reviewed · version of record

Paper-reported results. The values below come from this source, not an independent rewire.it run.

Open primary paper →DOI: 10.1021/acsomega.5c07675

Primary full text via Europe PMC XML; venue: ACS Omega; PMC ID: PMC12658688.

2 verified numerical rows · source checked 2026-09-15

Paper-reportedIndependent paper evaluation

Boltz-1

Protein–ligand pose prediction

Reported score
1.393 Å
Metric
Median ligand RMSD
Dataset / split
PLINDER-L95

All entries; authors note this dataset contains structures seen during model training.

Table 1, Boltz-1 row, Ligand RMSD (Å) columnVerify at source →
Paper-reportedIndependent paper evaluation

DiffDock

Protein–ligand pose prediction

Reported score
1.342 Å
Metric
Median ligand RMSD
Dataset / split
PLINDER-L95

All entries; rigid-protein docking comparator; authors note this dataset contains structures seen during model training.

Table 1, DiffDock row, Ligand RMSD (Å) columnVerify at source →